REMARK Name = BDB010199 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.351 -1.321 0.328 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.034 -1.381 0.215 0.00 0.00 +0.130 A ATOM 3 C LIG 1 0.756 -2.271 0.995 0.00 0.00 +0.185 A ATOM 4 N LIG 1 2.094 -2.176 0.762 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 2.224 -1.275 -0.184 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.204 -3.131 1.863 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -1.127 -3.051 1.876 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.995 -0.764 -0.558 0.00 0.00 -0.303 N ATOM 9 N LIG 1 -1.920 -2.212 1.166 0.00 0.00 -0.208 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 3.379 -0.856 -0.783 0.00 0.00 -0.295 N ATOM 11 C LIG 1 4.496 -0.595 0.209 0.00 0.00 +0.038 C ATOM 12 C LIG 1 4.960 0.847 0.332 0.00 0.00 +0.028 C ATOM 13 C LIG 1 4.263 0.194 1.483 0.00 0.00 +0.028 C ATOM 14 C LIG 1 5.569 -1.665 0.240 0.00 0.00 +0.026 C ATOM 15 C LIG 1 6.218 -1.805 -1.137 0.00 0.00 +0.004 C ATOM 16 C LIG 1 5.253 -1.486 -2.283 0.00 0.00 +0.019 C ATOM 17 C LIG 1 3.802 -1.750 -1.892 0.00 0.00 +0.108 C ENDBRANCH 5 10 BRANCH 7 18 ATOM 18 C LIG 1 -1.853 -3.981 2.770 0.00 0.00 +0.220 A ATOM 19 N LIG 1 -3.196 -3.943 2.795 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -3.794 -3.340 2.257 0.00 0.00 +0.174 HD ATOM 21 C LIG 1 -3.596 -4.873 3.671 0.00 0.00 +0.440 A ATOM 22 O LIG 1 -4.753 -5.133 3.958 0.00 0.00 -0.221 OA ATOM 23 O LIG 1 -2.484 -5.487 4.191 0.00 0.00 -0.295 OA ATOM 24 N LIG 1 -1.352 -4.867 3.568 0.00 0.00 -0.051 NA ENDBRANCH 7 18 BRANCH 1 25 ATOM 25 N LIG 1 -2.127 -0.402 -0.373 0.00 0.00 -0.324 N ATOM 26 H LIG 1 -1.688 0.514 -0.339 0.00 0.00 +0.148 HD BRANCH 25 28 ATOM 27 C LIG 1 -4.289 -1.369 -0.964 0.00 0.00 +0.028 C ATOM 28 C LIG 1 -3.564 -0.354 -0.078 0.00 0.00 +0.072 C BRANCH 28 29 ATOM 29 C LIG 1 -4.101 1.050 -0.380 0.00 0.00 +0.009 C ATOM 30 C LIG 1 -5.573 1.352 0.024 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -5.103 2.770 0.402 0.00 0.00 +0.001 C ATOM 32 C LIG 1 -3.704 2.165 0.631 0.00 0.00 +0.005 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 BRANCH 8 33 ATOM 33 C LIG 1 0.762 0.141 -1.677 0.00 0.00 +0.160 C BRANCH 33 34 ATOM 34 C LIG 1 0.408 1.557 -1.280 0.00 0.00 -0.028 A ATOM 35 C LIG 1 1.009 2.208 -0.195 0.00 0.00 +0.006 A ATOM 36 C LIG 1 0.679 3.529 0.118 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -0.241 4.241 -0.664 0.00 0.00 +0.055 A ATOM 38 C LIG 1 -0.831 3.599 -1.761 0.00 0.00 +0.013 A ATOM 39 C LIG 1 -0.504 2.276 -2.069 0.00 0.00 +0.006 A BRANCH 37 40 ATOM 40 C LIG 1 -0.621 5.659 -0.313 0.00 0.00 +0.417 C ATOM 41 F LIG 1 -0.870 6.428 -1.409 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -1.749 5.714 0.446 0.00 0.00 -0.166 F ATOM 43 F LIG 1 0.341 6.316 0.393 0.00 0.00 -0.166 F ENDBRANCH 37 40 ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 8